chempirical

(Z)-3-Hexenyl tiglate

C11H18O2CAS 67883-79-8182.26 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C11H18O2
Molar mass
182.26 g/mol
Exact mass
182.1307 Da
logP
2.85Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
67883-79-8
SMILES
C/C=C(C)C(=O)OCC/C=CCC
InChIKey
JNWQKXUWZWKUAY-JQEGGOPCSA-N
InChI
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2-Butenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (E,Z)-
  • 2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2E)-
  • cis-3-Hexenyl tiglate
  • Z-3-Hexenyl tiglate
  • (3Z)-Hexenyl tiglate

Work with (Z)-3-Hexenyl tiglate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl tiglate5837-78-557 % similar 3-Hexenyl acetate1708-82-356 % similar cis-3-Hexenyl acetate3681-71-856 % similar cis-3-Hexenyl propionate33467-74-250 % similar cis-3-Hexenyl butanoate16491-36-448 % similar cis-3-Hexenyl isobutyrate41519-23-748 % similar cis-3-Hexenyl isovalerate35154-45-145 % similar cis-3-Hexenyl valerate35852-46-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-nonynoate10031-92-2 Geranyl formate105-86-2 10-Undecynoic acid2777-65-3

Elsewhere

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